1-(4-benzylanilino)propan-1-ol

C16H19NO — CID 141374404

IUPAC1-(4-benzylanilino)propan-1-ol
SMILESCCC(O)Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-2-16(18)17-15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11,16-18H,2,12H2,1H3
InChIKeyJLHQIQGIQVOXFV-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.42
Rot. Bonds5

About 1-(4-benzylanilino)propan-1-ol

1-(4-benzylanilino)propan-1-ol (PubChem CID 141374404) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(4-benzylanilino)propan-1-ol.

Molecular Properties

Compound Name1-(4-benzylanilino)propan-1-ol
PubChem CID141374404
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(4-benzylanilino)propan-1-ol
SMILESCCC(O)Nc1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO/c1-2-16(18)17-15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11,16-18H,2,12H2,1H3
InChIKeyJLHQIQGIQVOXFV-UHFFFAOYSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-N-propan-2-ylaniline
CID 22888879
1-[4-(4-aminophenyl)anilino]propan-1-ol
CID 174762894
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
2-phenyl-1-(4-sulfanylanilino)ethanol
CID 143459369
N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline
CID 159021817
N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline
CID 157120065
phenyl(113C)methylbenzene
CID 11194569
1-(4-benzylphenyl)-3-methylurea
CID 145326557
1-benzyl-4-ethylbenzene;methane
CID 144571765
1-anilinohexadecan-1-ol
CID 173133122
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylanilino)propan-1-ol?
The IUPAC name of 1-(4-benzylanilino)propan-1-ol (CID 141374404) is 1-(4-benzylanilino)propan-1-ol.
What is the SMILES notation for 1-(4-benzylanilino)propan-1-ol?
The canonical SMILES for 1-(4-benzylanilino)propan-1-ol is CCC(O)Nc1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 1-(4-benzylanilino)propan-1-ol?
The InChIKey is JLHQIQGIQVOXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-16(18)17-15-10-8-14(9-11-15)12-13-6-4-3-5-7-13/h3-11,16-18H,2,12H2,1H3.
What are the key properties of 1-(4-benzylanilino)propan-1-ol?
1-(4-benzylanilino)propan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylanilino)propan-1-ol is sourced from PubChem (CID 141374404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).